N-phenethyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-phenethyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-phenethyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O2S/c1-4-16-29-23(17-31-22-12-10-21(11-13-22)19(2)3)27-28-25(29)32-18-24(30)26-15-14-20-8-6-5-7-9-20/h4-13,19H,1,14-18H2,2-3H3,(H,26,30)